1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2S)-heptan-2-yl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2S)-heptan-2-yl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1S)-1-methylhexyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2S)-heptan-2-yl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2S)-heptan-2-yl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1S)-1-methylhexyl]thiourea Formula: C16H25ClN2S MolecularWeight: 312.9011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C=C(C=C1Cl)C)C

Isomeric SMILES

CCCCC[C@H](C)NC(=S)NC1=C(C=C(C=C1Cl)C)C

InChI

InChI=1S/C16H25ClN2S/c1-5-6-7-8-13(4)18-16(20)19-15-12(3)9-11(2)10-14(15)17/h9-10,13H,5-8H2,1-4H3,(H2,18,19,20)/t13-/m0/s1